S-Metazocine

Base Information

• Chemical Name: S-Metazocine
• CAS No.: 71780-68-2
• Molecular Formula: C26H29NO5S
• Molecular Weight: 485.598
• Mol file: 71780-68-2.mol

Synonyms:S-Metazocine;71780-68-2;Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E)-2-butenedioate (1:1), hydrate;C22H25NOS.C4H4O4.H2O;C22-H25-N-O-S.C4-H4-O4.H2-O;LS-29393

Chemical Property of S-Metazocine

Chemical Property:

• Vapor Pressure: 1.84E-08mmHg at 25°C
• Boiling Point: 454.9°C at 760 mmHg
• Flash Point: 228.9°C
• PSA: 120.21000
• LogP: 4.42280
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 467.17664420
• Heavy Atom Count: 33
• Complexity: 621

Purity/Quality:

99% ^*data from raw suppliers

BENZENECARBOTHIOIC ACID, S-(1,2,3,4,5,6-HEXAHYDRO-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-8-YL) ESTER, (2-ALPHA,6-ALPHA,11R*)-, (+-)-, (E)-2-BUTENEDIOATE (1:1), HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)SC(=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)SC(=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O